Modeling of aqueous electrolyte solutions with perturbed-chain statistical associated fluid theory

被引:269
作者
Cameretti, LF
Sadowski, G [1 ]
Mollerup, JM
机构
[1] Univ Dortmund, Dept Biochem & Chem Engn, D-44227 Dortmund, Germany
[2] Tech Univ Denmark, Dept Chem Engn, IVC, SEP, DK-2800 Lyngby, Denmark
关键词
D O I
10.1021/ie0488142
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
The vapor pressures and liquid densities of single-salt electrolyte solutions containing NaCl, LiCl, KCl, NaBr, LiBr, KBr, NaI, LiI, KI, Li2SO4, Na2SO4, and K2SO4 were modeled with an equation of state based on perturbed-chain statistical associated fluid theory (PC-SAFT). The PC-SAFT model was extended to charged compounds using a Debye-Huckel term for the electrostatic interactions. Two model parameters for each ion were fitted to experimental pVT and vapor-pressure data. The model is able to excellently reproduce the experimental data up to high salt molalities and even to predict vapor pressures in mixed-salt solutions.
引用
收藏
页码:3355 / 3362
页数:8
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